SCHEMBL27593151

SCHEMBL27593151

CC(C)(C[C@H]1CC[C@@H](CO)CC1)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28794950 1.00 NR1H2 (0.38) NR1H2THRATHRBTDP1ATM
SCHEMBL27593149 1.00 NR1H2 (0.38) NR1H2THRATHRBTDP1ATM
SCHEMBL27493732 0.93 THRA (0.39) NR1H2THRATHRBTDP1ATM
SCHEMBL27979075 0.90 NR1H2 (0.40) NR1H2THRATHRB
SCHEMBL27854238 0.88 THRA (0.34) NR1H2THRATHRB
SCHEMBL27611212 0.86 THRA (0.35) THRATHRBTDP1ATM
SCHEMBL27594438 0.86 THRA (0.35) THRATHRBTDP1ATM
SCHEMBL27740843 0.86 THRA (0.35) THRATHRBTDP1ATM
SCHEMBL27613018 0.86 THRA (0.35) THRATHRBTDP1ATM
SCHEMBL27729891 0.86 PLG (0.41) THRATHRBTDP1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582281-A MCH receptor antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-16 CN disclosed